4-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-(4-butoxy-3-methoxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O)OC

InChI

InChI=1S/C19H23NO5S2/c1-3-4-10-25-14-8-7-13(11-15(14)24-2)12-16-18(23)20(19(26)27-16)9-5-6-17(21)22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,22)/b16-12+